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ScientificNameLabel
5-methyl-3-heptanone
PHCD compound ID : 950
Chemical Names :
5-methyl-3-heptanone
Molecular Formula : C8H16O1
Molecular Weight : 128.120115
More Details :
Names & Synonyms: 5-methylheptan-3-one , 5-methyl-3-heptanone
Smiles: CC[C@H](CC(=O)CC)C
InChi : InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChi Key : InChIKey=PSBKJPTZCVYXSD-SSDOTTSWSA-N
PubChem ID : 7822
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.911311
Hydrogen bond donor count : 0 Electric dipole moment : 2.959
XLogP : 2.337 VDW volume : 153.078104
Molecular weight : 128.120115 HOMO-LUMO gap : 10.924000
Herb list :
Refrences & Litretures:
  
77.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'1443'      DOI:''      Title:'Comparative Study of the Essential Oil Chemical Composition of Thymus Kotschyanus Boiss. & Hohen var. kotschyanus from Iran'
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
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